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(4E)-4-(1,2,2,2-tetrafluoroethylidene)-2-[1-[(4E)-4-(1,2,2,2-tetrafluoroethylidene)-5,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]pyrrol-2-yl]-5,5-bis(trifluoromethyl)-1,3-thiazole

Formula:C18H3N3F20S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-(1,2,2,2-tetrafluoroethylidene)-2-[1-[(4E)-4-(1,2,2,2-tetrafluoroethylidene)-5,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]pyrrol-2-yl]-5,5-bis(trifluoromethyl)-1,3-thiazole is not a drug-like molecule.
MolName(4E)-4-(1,2,2,2-tetrafluoroethylidene)-2-[1-[(4E)-4-(1,2,2,2-tetrafluoroethylidene)-5,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]pyrrol-2-yl]-5,5-bis(trifluoromethyl)-1,3-thiazole
MolecularFormulaC18H3N3F20S2
SmilesFC(C1(C(F)(F)F)SC(c2cccn2C(SC2(C(F)(F)F)C(F)(F)F)=N/C2=C(\C(F)(F)F)/F)=N/C1=C(\C(F)(F)F)/F)(F)F
InChIInChI=1S/C18H3F20N3S2/c19-5(13(21,22)23)7-11(15(27,28)29,16(30,31)32)42-9(39-7)4-2-1-3-41(4)10-40-8(6(20)14(24,25)26)12(43-10,17(33,34)35)18(36,37)38/h1-3H
InChIKJBAABBNPNXSVOT-UHFFFAOYSA-N
TotalMolweight705.335
Molweight705.335
MonoisotopicMass704.944897
CLogP10.046
CLogS-10.072
H Acceptors3
TotalSurfaceArea372.5
Relative PSA0.17415
PolarSurfaceArea80.25
Druglikeness-17.714
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.32558
Fragments1
Non HAtoms43
NonCHAtoms25
Electronegative Atoms25
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings1
Aromatic Atoms5
Sp3Atoms10
Symmetricatoms16
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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